2-[4-[[5-butan-2-yl-3-(2-cyclohexylethyl)-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[5-butan-2-yl-3-(2-cyclohexylethyl)-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(2-cyclohexylethyl)-2-oxo-5-sec-butyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butan-2-yl-3-(2-cyclohexylethyl)-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-butan-2-yl-3-(2-cyclohexylethyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(2-cyclohexylethyl)-2-keto-5-sec-butyl-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

Isomeric SMILES

CCC(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

InChI

InChI=1S/C29H36N2O3/c1-3-21(2)27-20-30(18-17-22-9-5-4-6-10-22)29(34)31(27)19-23-13-15-24(16-14-23)25-11-7-8-12-26(25)28(32)33/h7-8,11-16,20-22H,3-6,9-10,17-19H2,1-2H3,(H,32,33)